{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.751826 0.130482 ] [ 0.25 0.248174 0.869518 ] [ 0.75 0.251826 0.369518 ] [ 0.25 0.748174 0.630482 ] [ 0.75 0.139842 0.076406 ] [ 0.25 0.860158 0.923594 ] [ 0.75 0.639842 0.423594 ] [ 0.25 0.360158 0.576406 ] [ 0.75 0.534915 0.847491 ] [ 0.25 0.465085 0.152509 ] [ 0.75 0.034915 0.652509 ] [ 0.25 0.965085 0.347491 ] [ 0.491567 0.903248 0.125578 ] [ 0.991567 0.096752 0.874422 ] [ 0.008433 0.403248 0.374422 ] [ 0.508433 0.596752 0.625578 ] [ 0.508433 0.096752 0.874422 ] [ 0.008433 0.903248 0.125578 ] [ 0.991567 0.596752 0.625578 ] [ 0.491567 0.403248 0.374422 ] [ 0.002833 0.868944 0.532499 ] [ 0.502833 0.131056 0.467501 ] [ 0.497167 0.368944 0.967501 ] [ 0.997167 0.631056 0.032499 ] [ 0.997167 0.131056 0.467501 ] [ 0.497167 0.868944 0.532499 ] [ 0.502833 0.631056 0.032499 ] [ 0.002833 0.368944 0.967501 ] [ 0.512995 0.638012 0.239693 ] [ 0.012995 0.361988 0.760307 ] [ 0.987005 0.138012 0.260307 ] [ 0.487005 0.861988 0.739693 ] [ 0.487005 0.361988 0.760307 ] [ 0.987005 0.638012 0.239693 ] [ 0.012995 0.861988 0.739693 ] [ 0.512995 0.138012 0.260307 ] [ 0.75 0.826016 0.958172 ] [ 0.25 0.173984 0.041828 ] [ 0.75 0.326016 0.541828 ] [ 0.25 0.673984 0.458172 ] [ 0.75 0.844027 0.303549 ] [ 0.25 0.155973 0.696451 ] [ 0.75 0.344027 0.196451 ] [ 0.25 0.655973 0.803549 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.51727093 "source-unit" "angstrom" } "b" { "source-value" 9.89905475 "source-unit" "angstrom" } "c" { "source-value" 11.83574548 "source-unit" "angstrom" } }